Geometry & MOs

Info

ID:	239613
PubChem CID:	93166791
Reduced:	ClSN2O3C27H27 (1)
Stoich.:	ABC2D3E27F27 (1)
Weight, g/mol:	494.143092
ΔH_f, kcal/mol:	-47.77
Dipole, Da:	4.76
IP(EA), eV:	-8.71(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4R)-4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC[C@@H]2C3=C(CCN2C(=O)CN(CC=C)C(=O)C4=CC=CC=C4)SC=C3)Cl

DOS

IR

Vibrations